Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044161

Ligand	Ligand name	Chain	PDB	Tanimoto
1MR	N-METHYLANILINE	X	2OTZ	0.84
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.85
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.85
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.71
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.85
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.85
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.85
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.85
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.83
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.71
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.72
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.86
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.73
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.72
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.73
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.78
PIR	2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL	A,B,C,D	2MAS	0.7
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.81
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.74
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.74
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.74
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.74
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.74
SC5	2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL	H	1YNK	0.74
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.72
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.77
A8B		A	1ODC	0.73
3NT	3-NITROTOLUENE	A,B	2BMR	0.73
3NT	3-NITROTOLUENE	A,B	2HMO	0.73
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.72
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.72
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.7
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.7
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.73
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.74
34A	3,4-DIMETHYLANILINE	A	1L4K	0.85
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.76
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.77
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.77
PNC	PARA-NITROBENZYL GLUTARYL GLYCINIC ACID	L	1YEF	0.7
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.7
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.7
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.76
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.76
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.75
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.76
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.71
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.81
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.72
1AN	2-FLUOROANILINE	A	1LGW	0.74
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.74
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.74
ABN	BENZYLAMINE	D,H	2HXC	0.76
ABN	BENZYLAMINE	A,I	1A86	0.76
ABN	BENZYLAMINE	A	1UTN	0.76
ABN	BENZYLAMINE	A	1N6X	0.76
ABN	BENZYLAMINE	A	2BZA	0.76
ABN	BENZYLAMINE	A	2EUS	0.76
ABN	BENZYLAMINE	A	1N6Y	0.76
ABN	BENZYLAMINE	A	1UTJ	0.76
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.75
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.75
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.75
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.75
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.75
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.72
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.77
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.75
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.72
LJH	N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)	A,B	3BGC	0.7
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.73
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.73
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.86
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.73
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.73
34T	(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline	H	1ETR	0.71
MGR	MALACHITE GREEN	A,B	3BQZ	0.76
MGR	MALACHITE GREEN	A	1Q8N	0.76
MGR	MALACHITE GREEN	A,B	3BR0	0.76
MGR	MALACHITE GREEN	A,D,E	3BTL	0.76
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.76
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.76
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.73
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.72
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.74
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.74
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.71
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.73
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.73
DPK	DEPRENYL	A,B	2BYB	0.73
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.73
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.73
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.71
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.73
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.82
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.82
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.75
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.74
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.71
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.72
IDM	INDOLINE	A,B	3CEP	0.85
IDM	INDOLINE	A	1AEK	0.85
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.83
NYL	N-ALLYL-ANILINE	A	1OVK	0.84
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.82
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.82
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.82
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.82
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.75
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.75
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.75
ANL	ANILINE	A	2OV4	0.76
ANL	ANILINE	A	1AEE	0.76
ANL	ANILINE	A	1PPA	0.76
ANL	ANILINE	A	1HJ9	0.76
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.73
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.71
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.81
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.81
271	N-methyl-1-phenylmethanamine	X	2RBT	0.85
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.76
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.76
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.76
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.76
221	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE	A,B	2IJN	0.71
264	(phenylamino)acetonitrile	A	2RBN	0.84
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.8
PL0	1-phenylguanidine	A	2O8W	0.73
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.82
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.71
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.76
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.76
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.76
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.79
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.79
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.79
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.73
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.73
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.73
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.73
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.9
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.8
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.77
BSU	1,3-DIPHENYLUREA	A	3E85	0.72
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.72
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.8
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.8
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.8
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.8
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.8
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.8
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.8
BRN	BERENIL	A,B	268D	0.73
BRN	BERENIL	A,B	1D63	0.73
BRN	BERENIL	A,D,E	2GBY	0.73
BRN	BERENIL	A	2DBE	0.73
BRN	BERENIL	A	2GVR	0.73
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.74